Sugi Predict

Sugi Predict / Compounds / SCHEMBL424862

SCHEMBL424862

SCHEMBL424862

NC(C1CC1)n1nc2c(c1C(=O)O)CCc1cnc(C=Cc3ccccc3)cc1-2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ MAOB P27338 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ PLK1 P53350 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL427832 0.81 — —
Hydrochloric Acid SCHEMBL6791564 0.78 CDK2 (0.35) SRD5A1SRD5A2MAOBAURKACCNA2
Hydrochloric Acid SCHEMBL6791570 0.78 CDK2 (0.35) SRD5A1SRD5A2MAOBAURKACCNA2
SCHEMBL424861 0.78 SRD5A1 (0.33) SRD5A1SRD5A2CDK2KDM4EMEN1
SCHEMBL424860 0.78 SRD5A1 (0.33) SRD5A1SRD5A2CDK2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL6794213 0.74 CDK2 (0.40) SRD5A1SRD5A2AURKACCNA2CDK2
Trifluoroacetic Acid SCHEMBL6794198 0.74 CDK2 (0.40) SRD5A1SRD5A2AURKACCNA2CDK2
SCHEMBL425963 0.72 BRS3 (0.35) —
SCHEMBL426607 0.72 BRS3 (0.35) —
SCHEMBL428746 0.72 SRD5A1 (0.34) SRD5A1SRD5A2MAOBAURKACDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US claimed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP claimed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US claimed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO claimed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 SRD5A1 1170/4885SRD5A2 461/4885MAOB 1310/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 SRD5A1 1170/4885SRD5A2 461/4885MAOB 1310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.